Canonical Configurational Interaction Procedure

Rev. Mod. Phys. 32, 300 (1960)

linear combinations of Slater determinants as varia- tional functions, the method frequently known as con-. 6gurational interaction.

Canonical Configurational Interaction Procedure - NASA/ADS

Canonical Configurational Interaction Procedure. Foster, J. M.; ;; Boys, S. F.. Abstract. Publication: Reviews of Modern Physics. Pub Date: April 1960; DOI ...

Canonical Configurational Interaction Procedure

Title. Canonical Configurational Interaction Procedure. Canonical Configurational Interaction Procedure · Author/Creator. Foster, J. M.. Foster, J. M. · Published ...

Foster60 | Gaussian.com

J. M. Foster and S. F. Boys, “Canonical configurational interaction procedure,” Rev. Mod. Phys., 32 (1960) 300-02. DOI: 10.1103/RevModPhys.32.300.

From configuration interaction to coupled cluster theory - SMU

first post-HF (Hartree-Fock) [also called post-. SCF (self-consistent field)] method used in the early days of quantum chemistry to correct the mean-field.

A The Configuration Interaction Method: .dvances in Highly ...

method of Hunt and G ~ d d a r d . ' ~ ~ IVO's look like excited state orbitals and are more contracted than canonical SCF orbitals. Nevertheless, they ...

Reinforcement Learning Configuration Interaction - ChemRxiv

Selected configuration interaction (sCI) methods exploit the sparsity of the full con- figuration interaction (FCI) wave function, yielding significant ...

Configuration interaction approaches for solving quantum impurity ...

II, we introduce our configuration interaction-based electronic structure method and projection-based diabatization. The results of these methods applied to ...

Toward a Full Configurational Accuracy Calculation of an Arbitrary ...

In this work, we combine a stochastic method, full configuration interaction quantum Monte Carlo (FCIQMC), (13−16) and the fragment embedding ...

Many-Body Basis Set Amelioration Method for Incremental Full ...

in AB Initio Methods in. Quantum Chemistry - II vol. 69 319–397 (2007). 100. Boys, S. F. & Foster, J. M. Canonical Configurational Interaction Procedure. Rev.

Toward a Full Configurational Accuracy Calculation of an Arbitrary ...

Canonical configurational interaction procedure. Rev. Mod. Phys. 1960, 32, 300–302. 10.1103/RevModPhys.32.300. [CrossRef] [Google Scholar]; Knizia G ...

Neural Pfaffians: Solving Many Many-Electron Schrödinger Equations

... methods require discrete orbital selection via non-learnable hand-crafted algorithms. ... Canonical Configurational Interaction Procedure. Reviews ...

References - PySCF

A new determinant-based full configuration interaction method. Chem ... Canonical Configurational Interaction Procedure. Rev. Mod. Phys., 32(2):300 ...

Configuration interaction - Wikipedia

Configuration interaction (CI) is a post-Hartree–Fock linear variational method for solving the nonrelativistic Schrödinger equation within the ...

Reinforcement Learning Configuration Interaction - ChemRxiv

If no action is selected, the learning procedure ... using canonical RHF orbitals, and the underlying ... Semistochastic. Heat-Bath Configuration Interaction Method ...

Incremental Treatments of the Full Configuration Interaction Problem

canonical virtual orbitals, were furthermore presented. ... the Method of Configurational Interaction. ... A Fast Intrinsic Localization Procedure ...

Multireference Configuration Interaction - ScienceDirect.com

The lack of the size consistency, which plagues SR CI methods such as CISD, typifies also in the MRCI approach. In fact, quadratic CI methods such as QCISD246 ...

Excitonic Configuration Interaction: Going Beyond the Frenkel ...

... canonical HF orbitals, given that these site ... Next, we illustrate the flow of the spin adaptation procedure of the ECISD basis for an exemplary ...

Communication: An adaptive configuration interaction approach for ...

This adaptive configuration interaction (ACI) determines an optimal basis by an iterative procedure in which the determinant space is expanded and coarse ...